pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.78	AttenGpKa training set	1	0	COc1ccc2cnc(C)[nH+]c2c1,COc1ccc2c[nH+]c(C)nc2c1	COc1ccc2cnc(C)nc2c1	mol26215	COc1ccc2cnc(C)nc2c1